SCHEMBL6093749

SCHEMBL6093749

Cc1ccc(C(C)NC(=O)c2nc(N3CCCCS3(=O)=O)n(C)c(=O)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.43
CALCA P06881 10/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6095571 0.92 CALCA (0.44) PHGDHCALCAHTT
SCHEMBL6094115 0.92 PHGDH (0.42) PHGDHCALCAALDH1A1POLBHTT
SCHEMBL6095159 0.92 PHGDH (0.42) PHGDHCALCAALDH1A1POLBHTT
SCHEMBL6095294 0.91 PHGDH (0.47) PHGDHCALCAL3MBTL1TP53MAPT
SCHEMBL6095823 0.91 PHGDH (0.47) PHGDHCALCAL3MBTL1TP53MAPT
SCHEMBL6093763 0.91 L3MBTL1 (0.37) PHGDHL3MBTL1TP53MAPTALDH1A1
SCHEMBL6094424 0.90 PHGDH (0.41) PHGDHCALCATP53MAPT
SCHEMBL6094058 0.87 PHGDH (0.44) PHGDHCALCABACE1BACE2
SCHEMBL6096233 0.83 POLB (0.42) POLB
SCHEMBL6096409 0.83 CALCA (0.53) CALCAL3MBTL1TP53MAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 PHGDH 1699/4885CALCA 4716/4885L3MBTL1 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.